SCHEMBL3049331

SCHEMBL3049331

CCN(CC)C(=O)n1cc(Cc2ccc(SC)cc2)c2c(O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
HTR2A P28223 7/20 0.37
HTR2C P28335 7/20 0.37
HTR2B P41595 5/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
POLB P06746 1/20 0.34
P2RX4 Q99571 1/20 0.33
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3045606 0.89 HTR2A (0.39) SLC5A1SLC5A2HTR2AHTR2CHTR2B
SCHEMBL3048236 0.82 LTB4R (0.39) TBXA2RPTGER3PTGER2PTGDRPOLB
SCHEMBL3040972 0.71 LTB4R (0.41) PTGER3PTGER2MEN1KMT2AALDH1A1
SCHEMBL3049904 0.69 BCHE (0.43) SLC5A2MEN1KMT2AALDH1A1
SCHEMBL2575336 0.65 KEAP1 (0.63) TBXA2RPTGER3PTGER2PTGDRSLC5A1
SCHEMBL14278460 0.63 SLC5A2 (0.57) SLC5A1SLC5A2HTR2AHTR2CHTR2B
SCHEMBL3410215 0.63 TSPO (0.42) POLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3045532 0.61 HTR2C (0.55) SLC5A1SLC5A2HTR2AHTR2CHTR2B
SCHEMBL31024314 0.60 HTR2A (0.62) HTR2AHTR2CHTR2B
SCHEMBL5871651 0.60 P2RX4 (0.51) SLC6A2POLBP2RX4KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP TBXA2R 1874/4885PTGER3 1434/4885PTGER2 2378/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP TBXA2R 1874/4885PTGER3 1434/4885PTGER2 2378/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP TBXA2R 1874/4885PTGER3 1434/4885PTGER2 2378/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 TBXA2R 2390/4885PTGER3 1536/4885PTGER2 3450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.